[gmx-users] LINCS problem
s lal badshah
shahbiochemist at yahoo.com
Mon Mar 24 06:44:19 CET 2008
I checked the error lincs page and from that what I ignored in my work are the two errors these are:
Warning: there are 0 atoms with zero occupancy and 1 atom with occupancy unequal to one (out of 1480 atoms).Check your pdb file
Warning: masses will be determined based on residue and atom names,this can deviate from the real mass of the atom type.In case you use free energy of solvation predictions.
Can I correct these errors?
SYED LAL BADSHAH
NCE in Physical Chemistry,
University of Peshawar.
Cell # 03349060632.
Send instant messages to your online friends http://uk.messenger.yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users